Subject: Re: [nmr_sparky] water refinement of structures generated by CYANA
From: Betty Swanson
Date: Oct 29, 2007

Previous: 437 Next: 439


Dear Eiso,
I dont know how to execute the commands in the file generate.sh by hand, except that in the usage it says usage: t generate.sh name of the pdb file e.g. 1bf0.pdb
So I tried to exectute the file accordingly.
Thanks,
Betty

eiso e.ab@... wrote:
Betty Swanson wrote:
Dear All,

I want to carry out water refinement of CYANA generated structures using CNS1.1.
Can you’ll please help me out? I know there are RECOORD scripts such as generate.sh
etc. However, I don’t know how to execute them. For instance, simply typing

“generate.sh 1KDF.pdb”

does not generate any output. It just gives the following message:

generate.sh: command not found.

could be that a program called in generate.sh is not found
try executing the commands in that file by had and
see how far you get.

-E


(I have changed the path such that the location of the RECOORD scripts are
defined).

Since some of you’ll must have done waterrefinement of structures generated by
CYANA, can you please tell me how to do it.

Thanks,

Betty



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